Receptor
PDB id Resolution Class Description Source Keywords
6DYS 2.3 Å NON-ENZYME: OTHER C-TERMINAL CONDENSATION DOMAIN OF EBONY IN COMPLEX WITH BETA DOPAMINE DROSOPHILA MELANOGASTER NRPS CONDENSATION DOMAIN PEPTIDE-BOND FORMATION BIOSYNTHEPROTEIN
Ref.: DROSOPHILA MELANOGASTERNONRIBOSOMAL PEPTIDE SYNTHET ENCODES AN ATYPICAL CONDENSATION DOMAIN. PROC. NATL. ACAD. SCI. V. 116 2913 2019 U.S.A.
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
HJ1 A:902;
 Valid;
 none;
 Kd = 56.4 uM
224.256 C11 H16 N2 O3 c1cc(...
CA A:901;
 Invalid;
 none;
 submit data
40.078 Ca [Ca+2...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
6DYS 2.3 Å NON-ENZYME: OTHER C-TERMINAL CONDENSATION DOMAIN OF EBONY IN COMPLEX WITH BETA DOPAMINE DROSOPHILA MELANOGASTER NRPS CONDENSATION DOMAIN PEPTIDE-BOND FORMATION BIOSYNTHEPROTEIN
Ref.: DROSOPHILA MELANOGASTERNONRIBOSOMAL PEPTIDE SYNTHET ENCODES AN ATYPICAL CONDENSATION DOMAIN. PROC. NATL. ACAD. SCI. V. 116 2913 2019 U.S.A.
Members (3)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1610 families.
1 6DYR Kd = 218.6 uM HJD C8 H14 N4 O c1c([nH]cn....
2 6DYN Kd = 638.9 uM HSM C5 H9 N3 c1c(nc[nH]....
3 6DYS Kd = 56.4 uM HJ1 C11 H16 N2 O3 c1cc(c(cc1....
70% Homology Family (3)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1331 families.
1 6DYR Kd = 218.6 uM HJD C8 H14 N4 O c1c([nH]cn....
2 6DYN Kd = 638.9 uM HSM C5 H9 N3 c1c(nc[nH]....
3 6DYS Kd = 56.4 uM HJ1 C11 H16 N2 O3 c1cc(c(cc1....
50% Homology Family (3)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1144 families.
1 6DYR Kd = 218.6 uM HJD C8 H14 N4 O c1c([nH]cn....
2 6DYN Kd = 638.9 uM HSM C5 H9 N3 c1c(nc[nH]....
3 6DYS Kd = 56.4 uM HJ1 C11 H16 N2 O3 c1cc(c(cc1....
Polypharmacology
Similar Ligands (2D)
Ligand no: 1; Ligand: HJ1; Similar ligands found: 2
No: Ligand ECFP6 Tc MDL keys Tc
1 HJ1 1 1
2 LDP 0.511111 0.644444
Similar Ligands (3D)
Ligand no: 1; Ligand: HJ1; Similar ligands found: 48
No: Ligand Similarity coefficient
1 1Q2 0.9265
2 IJ4 0.9172
3 N08 0.9118
4 4F0 0.9086
5 PQV 0.9052
6 HS6 0.8990
7 7HV 0.8981
8 ZYC 0.8951
9 0V7 0.8948
10 08D 0.8935
11 1A6 0.8915
12 OGY 0.8873
13 ZE7 0.8865
14 1Q1 0.8853
15 MFY 0.8830
16 3IB 0.8813
17 JYN 0.8806
18 HL6 0.8804
19 SFY 0.8793
20 5HG 0.8786
21 HPK 0.8785
22 IJ1 0.8782
23 LJ1 0.8762
24 SAZ 0.8759
25 0QA 0.8734
26 NFZ 0.8726
27 JCQ 0.8710
28 3GZ 0.8708
29 PHQ ALA 0.8698
30 YTZ 0.8691
31 3S9 0.8686
32 RV1 0.8678
33 KLS 0.8657
34 F91 0.8656
35 0OO 0.8652
36 KWD 0.8642
37 KWK 0.8642
38 HJD 0.8640
39 VIB 0.8634
40 ZIP 0.8624
41 27K 0.8621
42 KPV 0.8596
43 6C5 0.8577
44 1HR 0.8562
45 5ER 0.8549
46 M5P 0.8538
47 56Q 0.8528
48 SB7 0.8508
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 6DYS; Ligand: HJ1; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 1) in the query (biounit: 6dys.bio1) has 17 residues
No: Leader PDB Ligand Sequence Similarity
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